4-[4-(4-chloro-2-methoxybenzoyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(4-chloro-2-methoxybenzoyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(4-chloro-2-methoxybenzoyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5167 |
| Compound Name: | 4-[4-(4-chloro-2-methoxybenzoyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 467.87 |
| Molecular Formula: | C22 H21 Cl F3 N3 O3 |
| Smiles: | COCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(cc1OC)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0958 |
| logD: | 4.0958 |
| logSw: | -4.5532 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.837 |
| InChI Key: | BKLHWXLHZRFZBH-QGZVFWFLSA-N |